4-[[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[[4-(4-chloro-2-methyl-phenoxy)butanoylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]hydrazo]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[[4-(4-chloro-2-methylphenoxy)butanoylamino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[[4-(4-chloro-2-methyl-phenoxy)butanoylamino]carbamoyl]-N-propargyl-benzenesulfonamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C21H22ClN3O5S/c1-3-12-23-31(28,29)18-9-6-16(7-10-18)21(27)25-24-20(26)5-4-13-30-19-11-8-17(22)14-15(19)2/h1,6-11,14,23H,4-5,12-13H2,2H3,(H,24,26)(H,25,27)